2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one

C6H8N2O3 — CID 14493330

IUPAC2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CO)n1
InChIInChI=1S/C6H8N2O3/c1-11-6-2-5(10)7-4(3-9)8-6/h2,9H,3H2,1H3,(H,7,8,10)
InChIKeyLNBXRJQZZSVWFZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.73
Rot. Bonds2

About 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one

2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one (PubChem CID 14493330) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one
PubChem CID14493330
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CO)n1
InChIInChI=1S/C6H8N2O3/c1-11-6-2-5(10)7-4(3-9)8-6/h2,9H,3H2,1H3,(H,7,8,10)
InChIKeyLNBXRJQZZSVWFZ-UHFFFAOYSA-N
XLogP-0.73
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Hydroxymethyl)-4,6-pyrimidinediol
CID 232790
2-(Hydroxymethyl)-6-methylpyrimidin-4(1H)-one
CID 135538364
6-Hydroxy-2-(hydroxymethyl)-5-methylpyrimidin-4(3h)-one
CID 237016
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 20674308
2-(Methoxymethyl)pyrimidine-4,6-diol
CID 53438120
4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63613425
2-(Ethoxymethyl)-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 65668006
2-ethyl-4-methoxy-1H-pyrimidin-6-one
CID 103846153
6-amino-2-(ethoxymethyl)-4(3H)-pyrimidinone
CID 135456622
ethane;4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 144474062
ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 161322465

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one (CID 14493330) is 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(CO)n1.
What is the InChIKey of 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is LNBXRJQZZSVWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-11-6-2-5(10)7-4(3-9)8-6/h2,9H,3H2,1H3,(H,7,8,10).
What are the key properties of 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one?
2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one has a molecular weight of 156.14 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 14493330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).